29.3k citations · 29.3k across the 1 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2009★ 29.3k cited
Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
P. Giannozzi, S. Baroni, N. Bonini +30
Quantum ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density-functional theory, plane waves, and pseudop…
cond-mat.mtrl-sci2004
Electric fields with ultrasoft pseudo-potentials: applications to benzene and anthracene
Jaroslav Tobik, Andrea Dal Corso
We present density functional perturbation theory for electric field perturbations and ultra-soft pseudopotentials. Applications to benzene and anthracene molecules and surfaces ar…